SCHEMBL13344890

SCHEMBL13344890

Cc1cc(-c2ccc(F)c(N3CCNCC3)c2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.44
HTR7 P34969 10/20 0.43
HTR6 P50406 9/20 0.43
HTR1A P08908 8/20 0.43
HTR2B P41595 8/20 0.43
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43
HTR5A P47898 2/20 0.43
HTR3A P46098 4/20 0.40
HTR2A P28223 3/20 0.40
ADRB1 P08588 2/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
HTR2C P28335 1/20 0.40
OPRL1 P41146 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8226241 0.80 NOTUM (0.56) HTR7HTR6HTR1AHTR2BHTR1D
SCHEMBL8226159 0.78 HTR7 (0.43) HTR7HTR6HTR1AHTR2BHTR1D
SCHEMBL8221004 0.76 KMT2A (0.48) HTR7HTR6HTR1AHTR2BHTR1D
SCHEMBL8228663 0.75 KCNH2 (0.44) TTRHTR7HTR6ADRB1ADRB2
SCHEMBL8415635 0.75 AXL (0.41)
SCHEMBL6194571 0.75 HTR1A (0.58) HTR7HTR6HTR1AHTR2BHTR1B
SCHEMBL4909469 0.74 HTR7 (0.58) HTR7HTR6HTR1AHTR2BHTR1D
SCHEMBL8229627 0.74 MAPT (0.47) TTRHTR7HTR6HTR1AHTR2B
SCHEMBL8226475 0.73 HTR7 (0.43) HTR7HTR6HTR1AHTR2BOPRL1
SCHEMBL8226105 0.73 HTR7 (0.40) TTRHTR7HTR6HTR1AHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed